A Roadmap for Supercrystallography: From Single-Supercrystal Diffraction to the Atomic Structure of Colloidal Nanocrystals
- 1Department of Chemical Engineering
- 2Massachusetts Institute of Technology
- 3Department of Chemistry, Lund University, P.O. Box 124, Lund, Sweden, SE-221 00
Abstract
Colloidal nanocrystals are complex objects, comprising a solid inorganic core and a soft shell of organic ligands, both of which contribute to defining their properties. Obtaining an atomically precise description of both components remains an open challenge. Yet, these hybrid building blocks can self-assemble into supercrystals sufficiently large to be isolated and analyzed individually. It may therefore come as a surprise that single-supercrystal X-ray diffraction is not routinely used to investigate the structure of their constituent nanocrystals. Here, we propose a roadmap for establishing supercrystallography as the science of obtaining structural information about colloidal building blocks through diffraction experiments performed on their supercrystals. We review existing examples of single-supercrystal X-ray diffraction, examine the opportunities that may emerge from extending crystallographic methods to colloidal supercrystals, and discuss the main challenges that must be overcome to realize this vision. Drawing inspiration from the crystallography of nanoclusters and proteins, systems that share deep similarities with colloidal nanocrystals, we outline a possible path connecting state-of-the-art experiments to complete atomistic models through innovative data-analysis strategies. Finally, we consider how supercrystallography could complement existing characterization techniques, and develop into an accessible framework for investigating the structure of colloidal nanocrystals and their surface chemistry.
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BibTeX
@misc{toso2026roadmap,
title = {{A Roadmap for Supercrystallography: From Single-Supercrystal Diffraction to the Atomic Structure of Colloidal Nanocrystals}},
author = {Stefano Toso and Dmitry Baranov and William A. Tisdale},
howpublished = {ChemRxiv},
year = {2026},
month = sep,
doi = {10.26434/chemrxiv.15009461/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009461/v1},
note = {CC BY},
}
RIS
TY - UNPB
TI - A Roadmap for Supercrystallography: From Single-Supercrystal Diffraction to the Atomic Structure of Colloidal Nanocrystals
AU - Stefano Toso
AU - Dmitry Baranov
AU - William A. Tisdale
PY - 2026
DA - 2026/09/24
PB - ChemRxiv
DO - 10.26434/chemrxiv.15009461/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15009461/v1
AB - Colloidal nanocrystals are complex objects, comprising a solid inorganic core and a soft shell of organic ligands, both of which contribute to defining their properties. Obtaining an atomically precise description of both components remains an open challenge. Yet, these hybrid building blocks can self-assemble into supercrystals sufficiently large to be isolated and analyzed individually. It may therefore come as a surprise that single-supercrystal X-ray diffraction is not routinely used to investigate the structure of their constituent nanocrystals. Here, we propose a roadmap for establishing supercrystallography as the science of obtaining structural information about colloidal building blocks through diffraction experiments performed on their supercrystals. We review existing examples of single-supercrystal X-ray diffraction, examine the opportunities that may emerge from extending crystallographic methods to colloidal supercrystals, and discuss the main challenges that must be overcome to realize this vision. Drawing inspiration from the crystallography of nanoclusters and proteins, systems that share deep similarities with colloidal nanocrystals, we outline a possible path connecting state-of-the-art experiments to complete atomistic models through innovative data-analysis strategies. Finally, we consider how supercrystallography could complement existing characterization techniques, and develop into an accessible framework for investigating the structure of colloidal nanocrystals and their surface chemistry.
ER -